16588-17-3 | Ethyl 2-chloro-5-nitrobenzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$73.00	$51.00
5g	98%	in stock	$192.00	$134.00
10g	98%	in stock	$330.00	$231.00
25g	98%	in stock	$634.00	$444.00
100g	98%	in stock	$1,878.00	$1,315.00

Description

• Catalog Number: AA88426
• Chemical Name: Ethyl 2-chloro-5-nitrobenzoate
• CAS Number: 16588-17-3
• Molecular Formula: C9H8ClNO4
• Molecular Weight: 229.6171
• MDL Number: MFCD00115803
• SMILES: [O-][N+](=O)c1cc(C(=O)OCC)c(cc1)Cl

Computed Properties

• Complexity: 253
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• XLogP3: 2.7

Literature

• A three-dimensional in silico pharmacophore model for inhibition of Plasmodium falciparum cyclin-dependent kinases and discovery of different classes of novel Pfmrk specific inhibitors.

  Journal of medicinal chemistry 20041021